methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate

C13H20N2O2 — CID 62006414

IUPACmethyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
SMILESCOC(=O)CCCCCNc1ccc(C)cn1
InChIInChI=1S/C13H20N2O2/c1-11-7-8-12(15-10-11)14-9-5-3-4-6-13(16)17-2/h7-8,10H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyAGRVXDSOSVCCBY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.54
Rot. Bonds7

About methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate

methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate (PubChem CID 62006414) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
PubChem CID62006414
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
SMILESCOC(=O)CCCCCNc1ccc(C)cn1
InChIInChI=1S/C13H20N2O2/c1-11-7-8-12(15-10-11)14-9-5-3-4-6-13(16)17-2/h7-8,10H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyAGRVXDSOSVCCBY-UHFFFAOYSA-N
XLogP2.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
CID 162756210
N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
CID 9107417
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
methyl 5-[(4-chloro-2-pyridinyl)amino]pentanoate
CID 162756339
N-(3-ethoxypropyl)-5-methylpyridin-2-amine
CID 29271693
ethane;methyl 4-(4-methylanilino)butanoate
CID 170958107
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
methyl 6-[(3-bromo-4-methyl-2-pyridinyl)amino]hexanoate
CID 106878486

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate?
The IUPAC name of methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate (CID 62006414) is methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate is COC(=O)CCCCCNc1ccc(C)cn1.
What is the InChIKey of methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate?
The InChIKey is AGRVXDSOSVCCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-7-8-12(15-10-11)14-9-5-3-4-6-13(16)17-2/h7-8,10H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate?
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate has a molecular weight of 236.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate is sourced from PubChem (CID 62006414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).